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Thermostat

Influence of temperature and free edges on the mechanical properties of graphene.

Submitted by Nuwan Dewapriya on
research
molecular dynamics
nanomechanics
surface energy
graphene
strain rate dependence
initial strain
temperature dependent properties
graphene nano-ribbon
Thermostat
thermal expansion
Kinetic analysis
stress strain response
atomistic modelling

I would like to share with you my first paper in a SCI journal: doi:10.1088/0965-0393/21/6/065017

Symmetry-Adapted Non-Equilibrium Molecular Dynamics of Chiral Carbon Nanotubes under Tensile Loading

Submitted by Amin Aghaei on
research
Nanotubes
Objective MD
Thermostat
Barostat

Here is the paper "Symmetry-Adapted Non-Equilibrium Molecular Dynamics of Chiral Carbon Nanotubes under Tensile Loading"

 Amin Aghaei, Kaushik Dayal

Civil and Environmental Engineering, Carnegie Mellon University

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